Geometry & MOs

Info

ID:	22567
PubChem CID:	597745
Reduced:	O4N5C9H11 (1)
Stoich.:	A4B5C9D11 (1)
Weight, g/mol:	253.081104
ΔH_f, kcal/mol:	-51.87
Dipole, Da:	8.85
IP(EA), eV:	-8.91(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(diaminomethylidene)-3-(2-methoxy-5-nitrophenyl)urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)N=C(N)N

DOS

IR

Vibrations